N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C16H17N3O5S3 — CID 2812460

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(-c2ccon2)s1
InChIInChI=1S/C16H17N3O5S3/c1-11-4-5-12(27(22,23)19(2)3)10-14(11)18-26(20,21)16-7-6-15(25-16)13-8-9-24-17-13/h4-10,18H,1-3H3
InChIKeyQKYIIOLHXXRIBQ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.76
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 2812460) has the molecular formula C16H17N3O5S3 and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID2812460
Molecular FormulaC16H17N3O5S3
Molecular Weight427.53 g/mol
Exact Mass427.03
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(-c2ccon2)s1
InChIInChI=1S/C16H17N3O5S3/c1-11-4-5-12(27(22,23)19(2)3)10-14(11)18-26(20,21)16-7-6-15(25-16)13-8-9-24-17-13/h4-10,18H,1-3H3
InChIKeyQKYIIOLHXXRIBQ-UHFFFAOYSA-N
XLogP2.76
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 2812460) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(-c2ccon2)s1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is QKYIIOLHXXRIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S3/c1-11-4-5-12(27(22,23)19(2)3)10-14(11)18-26(20,21)16-7-6-15(25-16)13-8-9-24-17-13/h4-10,18H,1-3H3.
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2812460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).